3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

C137H111N19O22 — CID 159394470

IUPAC3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2nc(C)c3c(C(=O)O)cc(-c4ccco4)nc32)cc1.Cc1cc(C(=O)O)c2c(C)nn(Cc3ccc(Oc4ccccc4)cc3)c2n1.Cc1nn(CCCOc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(-c3ccncc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2cccc(Oc3ccccc3)c2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/2C25H19N3O4.C24H18N4O3.C22H19N3O3.C21H19N3O4.C20H17N3O4/c1-16-23-20(25(29)30)14-21(22-11-6-12-31-22)26-24(23)28(27-16)15-17-7-5-10-19(13-17)32-18-8-3-2-4-9-18;1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18;1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)28(27-15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18;1-14-12-19(22(26)27)20-15(2)24-25(21(20)23-14)13-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17;1-14-19-16(21(25)26)13-17(18-9-5-11-28-18)22-20(19)24(23-14)10-6-12-27-15-7-3-2-4-8-15;1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)23(22-12)11-13-5-7-14(26-2)8-6-13/h2*2-14H,15H2,1H3,(H,29,30);2-13H,14H2,1H3,(H,29,30);3-12H,13H2,1-2H3,(H,26,27);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25)
InChIKeyLMNOPCLKOARLKR-UHFFFAOYSA-N
MW2375.51 g/mol
LogP28.39
Rot. Bonds34

About 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 159394470) has the molecular formula C137H111N19O22 and a molecular weight of 2375.51 g/mol. Its IUPAC name is 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID159394470
Molecular FormulaC137H111N19O22
Molecular Weight2375.51 g/mol
Exact Mass2373.82
IUPAC Name3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2nc(C)c3c(C(=O)O)cc(-c4ccco4)nc32)cc1.Cc1cc(C(=O)O)c2c(C)nn(Cc3ccc(Oc4ccccc4)cc3)c2n1.Cc1nn(CCCOc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(-c3ccncc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2cccc(Oc3ccccc3)c2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/2C25H19N3O4.C24H18N4O3.C22H19N3O3.C21H19N3O4.C20H17N3O4/c1-16-23-20(25(29)30)14-21(22-11-6-12-31-22)26-24(23)28(27-16)15-17-7-5-10-19(13-17)32-18-8-3-2-4-9-18;1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18;1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)28(27-15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18;1-14-12-19(22(26)27)20-15(2)24-25(21(20)23-14)13-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17;1-14-19-16(21(25)26)13-17(18-9-5-11-28-18)22-20(19)24(23-14)10-6-12-27-15-7-3-2-4-8-15;1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)23(22-12)11-13-5-7-14(26-2)8-6-13/h2*2-14H,15H2,1H3,(H,29,30);2-13H,14H2,1H3,(H,29,30);3-12H,13H2,1-2H3,(H,26,27);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25)
InChIKeyLMNOPCLKOARLKR-UHFFFAOYSA-N
XLogP28.39
TPSA532.80 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002375.51
LogP ≤ 528.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-(furan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 9505406
6-(Furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 73443129
6-(Furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118423451
6-(Furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118414925
6-(Furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118414949
CID 158002486
CID 158002486
3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;5-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2H-imidazole-4-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]furo[2,3-c]pyridine-5-carboxamide
CID 158232511
CID 159201413
CID 159201413
1-[4-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanone;3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 159454013
3-methyl-2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;1-methyl-5-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(1-phenylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 160034205
CID 160615149
CID 160615149
[1-[4-[[6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane
CID 160710673

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 159394470) is 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is COc1ccc(Cn2nc(C)c3c(C(=O)O)cc(-c4ccco4)nc32)cc1.Cc1cc(C(=O)O)c2c(C)nn(Cc3ccc(Oc4ccccc4)cc3)c2n1.Cc1nn(CCCOc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(-c3ccncc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2cccc(Oc3ccccc3)c2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is LMNOPCLKOARLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H19N3O4.C24H18N4O3.C22H19N3O3.C21H19N3O4.C20H17N3O4/c1-16-23-20(25(29)30)14-21(22-11-6-12-31-22)26-24(23)28(27-16)15-17-7-5-10-19(13-17)32-18-8-3-2-4-9-18;1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18;1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)28(27-15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18;1-14-12-19(22(26)27)20-15(2)24-25(21(20)23-14)13-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17;1-14-19-16(21(25)26)13-17(18-9-5-11-28-18)22-20(19)24(23-14)10-6-12-27-15-7-3-2-4-8-15;1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)23(22-12)11-13-5-7-14(26-2)8-6-13/h2*2-14H,15H2,1H3,(H,29,30);2-13H,14H2,1H3,(H,29,30);3-12H,13H2,1-2H3,(H,26,27);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25).
What are the key properties of 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 2375.51 g/mol, XLogP of 28.39, 34 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 159394470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).